Information card for entry 1540671

Structure parameters

• Formula: C29 H27 Fe2 O5 P W
• Calculated formula: C29 H27 Fe2 O5 P W
• SMILES: [W]([P](CC[c]12[Fe]3456789([cH]%10[cH]3[cH]4[cH]5[cH]6%10)[cH]1[cH]7[cH]8[cH]29)CC[c]12[Fe]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[cH]1[cH]7[cH]8[cH]29)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
• Authors of publication: Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2859 - 2867
• a: 17.504 ± 0.002 Å
• b: 12.9315 ± 0.0014 Å
• c: 12.708 ± 0.002 Å
• α: 90°
• β: 109.26 ± 0.005°
• γ: 90°
• Cell volume: 2715.5 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No